1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide

C16H16BrFN2O3S2 — CID 15995264

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H16BrFN2O3S2/c17-14-5-6-15(24-14)25(22,23)20-9-7-11(8-10-20)16(21)19-13-3-1-12(18)2-4-13/h1-6,11H,7-10H2,(H,19,21)
InChIKeyHIJXDRGNGIFMTP-UHFFFAOYSA-N
MW447.35 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 15995264) has the molecular formula C16H16BrFN2O3S2 and a molecular weight of 447.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID15995264
Molecular FormulaC16H16BrFN2O3S2
Molecular Weight447.35 g/mol
Exact Mass445.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H16BrFN2O3S2/c17-14-5-6-15(24-14)25(22,23)20-9-7-11(8-10-20)16(21)19-13-3-1-12(18)2-4-13/h1-6,11H,7-10H2,(H,19,21)
InChIKeyHIJXDRGNGIFMTP-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 15995264) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is HIJXDRGNGIFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S2/c17-14-5-6-15(24-14)25(22,23)20-9-7-11(8-10-20)16(21)19-13-3-1-12(18)2-4-13/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 447.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 15995264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).